N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine

C13H25N — CID 81028737

IUPACN-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine
SMILESC=CCC1CCCCC1CNC(C)C
InChIInChI=1S/C13H25N/c1-4-7-12-8-5-6-9-13(12)10-14-11(2)3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyMQYKNLLMIJYKKF-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds5

About N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine

N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine (PubChem CID 81028737) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine
PubChem CID81028737
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine
SMILESC=CCC1CCCCC1CNC(C)C
InChIInChI=1S/C13H25N/c1-4-7-12-8-5-6-9-13(12)10-14-11(2)3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyMQYKNLLMIJYKKF-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine
CID 81029906
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
N-[(2-prop-2-enylcyclopentyl)methyl]ethanamine
CID 81034432
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
N-[[2-(cyclohexylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81034855
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
CID 134992841
N-[[2-(3-methylbutyl)cyclopentyl]methyl]propan-2-amine
CID 81034843
cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine
CID 12910257
N-[[2-(4,4-dimethylpent-2-ynyl)cyclohexyl]methyl]propan-2-amine
CID 114190489
N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 81024018
N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine
CID 114268931

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine (CID 81028737) is N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine is C=CCC1CCCCC1CNC(C)C.
What is the InChIKey of N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine?
The InChIKey is MQYKNLLMIJYKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-7-12-8-5-6-9-13(12)10-14-11(2)3/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine?
N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 81028737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).